N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine

C15H16ClN5 — CID 173213702

IUPACN-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine
SMILESClc1ccc2[nH]c3c(c2c1)C(=NNCC1=NCCN1)CC3
InChIInChI=1S/C15H16ClN5/c16-9-1-2-11-10(7-9)15-12(20-11)3-4-13(15)21-19-8-14-17-5-6-18-14/h1-2,7,19-20H,3-6,8H2,(H,17,18)
InChIKeyVZVDHCNQWDPPBW-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.06
Rot. Bonds3

About N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine

N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine (PubChem CID 173213702) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine
PubChem CID173213702
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC NameN-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine
SMILESClc1ccc2[nH]c3c(c2c1)C(=NNCC1=NCCN1)CC3
InChIInChI=1S/C15H16ClN5/c16-9-1-2-11-10(7-9)15-12(20-11)3-4-13(15)21-19-8-14-17-5-6-18-14/h1-2,7,19-20H,3-6,8H2,(H,17,18)
InChIKeyVZVDHCNQWDPPBW-UHFFFAOYSA-N
XLogP2.06
TPSA64.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine?
The IUPAC name of N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine (CID 173213702) is N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine.
What is the SMILES notation for N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine?
The canonical SMILES for N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine is Clc1ccc2[nH]c3c(c2c1)C(=NNCC1=NCCN1)CC3.
What is the InChIKey of N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine?
The InChIKey is VZVDHCNQWDPPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c16-9-1-2-11-10(7-9)15-12(20-11)3-4-13(15)21-19-8-14-17-5-6-18-14/h1-2,7,19-20H,3-6,8H2,(H,17,18).
What are the key properties of N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine?
N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine has a molecular weight of 301.78 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-3,4-dihydro-2H-cyclopenta[b]indol-1-ylidene)amino]-1-(4,5-dihydro-1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 173213702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).