N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine

C24H27N5 — CID 142942374

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine
SMILESC/C=C\Cc1nc(CN(Cc2ccccc2)Cc2nc3ccccc3[nH]2)[nH]c1C
InChIInChI=1S/C24H27N5/c1-3-4-12-20-18(2)25-23(26-20)16-29(15-19-10-6-5-7-11-19)17-24-27-21-13-8-9-14-22(21)28-24/h3-11,13-14H,12,15-17H2,1-2H3,(H,25,26)(H,27,28)/b4-3-
InChIKeyNTCMRFMOGSDVRJ-ARJAWSKDSA-N
MW385.52 g/mol
LogP4.92
Rot. Bonds8

About N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine

N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine (PubChem CID 142942374) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine
PubChem CID142942374
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine
SMILESC/C=C\Cc1nc(CN(Cc2ccccc2)Cc2nc3ccccc3[nH]2)[nH]c1C
InChIInChI=1S/C24H27N5/c1-3-4-12-20-18(2)25-23(26-20)16-29(15-19-10-6-5-7-11-19)17-24-27-21-13-8-9-14-22(21)28-24/h3-11,13-14H,12,15-17H2,1-2H3,(H,25,26)(H,27,28)/b4-3-
InChIKeyNTCMRFMOGSDVRJ-ARJAWSKDSA-N
XLogP4.92
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)
CID 91865506
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;dichloromanganese
CID 21107923
N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine
CID 59163630
3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol
CID 46985414
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-[3-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]phenyl]ethanamine
CID 172879399
2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
CID 175787305
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine
CID 161048424
N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 46983929
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
trisilver;bis(1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 139153801
acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese
CID 91867985

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine (CID 142942374) is N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine is C/C=C\Cc1nc(CN(Cc2ccccc2)Cc2nc3ccccc3[nH]2)[nH]c1C.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine?
The InChIKey is NTCMRFMOGSDVRJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C24H27N5/c1-3-4-12-20-18(2)25-23(26-20)16-29(15-19-10-6-5-7-11-19)17-24-27-21-13-8-9-14-22(21)28-24/h3-11,13-14H,12,15-17H2,1-2H3,(H,25,26)(H,27,28)/b4-3-.
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine?
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine has a molecular weight of 385.52 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 142942374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).