N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide

C26H34N4O2 — CID 56540206

IUPACN-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NC(c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C26H34N4O2/c1-4-18-30(19-5-2)24(32)17-11-16-23(31)28-25(20-12-7-6-8-13-20)26-27-21-14-9-10-15-22(21)29(26)3/h6-10,12-15,25H,4-5,11,16-19H2,1-3H3,(H,28,31)
InChIKeyYYQUFUHPFWFJPG-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.60
Rot. Bonds11

About N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide

N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide (PubChem CID 56540206) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide
PubChem CID56540206
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NC(c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C26H34N4O2/c1-4-18-30(19-5-2)24(32)17-11-16-23(31)28-25(20-12-7-6-8-13-20)26-27-21-14-9-10-15-22(21)29(26)3/h6-10,12-15,25H,4-5,11,16-19H2,1-3H3,(H,28,31)
InChIKeyYYQUFUHPFWFJPG-UHFFFAOYSA-N
XLogP4.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide
CID 60588886
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
CID 95234713
N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94821546
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 98727973
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[2-[[(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 56519413

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide (CID 56540206) is N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NC(c1ccccc1)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide?
The InChIKey is YYQUFUHPFWFJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-4-18-30(19-5-2)24(32)17-11-16-23(31)28-25(20-12-7-6-8-13-20)26-27-21-14-9-10-15-22(21)29(26)3/h6-10,12-15,25H,4-5,11,16-19H2,1-3H3,(H,28,31).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide?
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide has a molecular weight of 434.58 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56540206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).