N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C21H21Cl2N5O2 — CID 56968711

IUPACN-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)NCC3CC3)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1
InChIInChI=1S/C21H21Cl2N5O2/c1-21(2)6-12-16-15(5-11(18(12)30-21)19(29)25-7-10-3-4-10)26-20(27-16)28-17-13(22)8-24-9-14(17)23/h5,8-10H,3-4,6-7H2,1-2H3,(H,25,29)(H2,24,26,27,28)
InChIKeyUBTGWOVUNVSZFI-UHFFFAOYSA-N
MW446.34 g/mol
LogP4.86
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56968711) has the molecular formula C21H21Cl2N5O2 and a molecular weight of 446.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID56968711
Molecular FormulaC21H21Cl2N5O2
Molecular Weight446.34 g/mol
Exact Mass445.11
IUPAC NameN-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)NCC3CC3)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1
InChIInChI=1S/C21H21Cl2N5O2/c1-21(2)6-12-16-15(5-11(18(12)30-21)19(29)25-7-10-3-4-10)26-20(27-16)28-17-13(22)8-24-9-14(17)23/h5,8-10H,3-4,6-7H2,1-2H3,(H,25,29)(H2,24,26,27,28)
InChIKeyUBTGWOVUNVSZFI-UHFFFAOYSA-N
XLogP4.86
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.34
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56968711) is N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)NCC3CC3)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is UBTGWOVUNVSZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2/c1-21(2)6-12-16-15(5-11(18(12)30-21)19(29)25-7-10-3-4-10)26-20(27-16)28-17-13(22)8-24-9-14(17)23/h5,8-10H,3-4,6-7H2,1-2H3,(H,25,29)(H2,24,26,27,28).
What are the key properties of N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 446.34 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56968711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).